CID 497679

N-phenyl-5-pyrazin-2-yl-1,3,4-thiadiazol-2-amine

Structural Information

Molecular Formula
C12H9N5S
SMILES
C1=CC=C(C=C1)NC2=NN=C(S2)C3=NC=CN=C3
InChI
InChI=1S/C12H9N5S/c1-2-4-9(5-3-1)15-12-17-16-11(18-12)10-8-13-6-7-14-10/h1-8H,(H,15,17)
InChIKey
CPZDMTXZJXBMJY-UHFFFAOYSA-N
Compound name
N-phenyl-5-pyrazin-2-yl-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.05786 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.06514 152.2
[M+Na]+ 278.04708 162.4
[M-H]- 254.05058 157.6
[M+NH4]+ 273.09168 165.6
[M+K]+ 294.02102 156.4
[M+H-H2O]+ 238.05512 142.4
[M+HCOO]- 300.05606 170.5
[M+CH3COO]- 314.07171 164.1
[M+Na-2H]- 276.03253 157.9
[M]+ 255.05731 152.9
[M]- 255.05841 152.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.